6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine

C16H28N6O2 — CID 90488484

IUPAC6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
SMILESCOC1CCN(c2ncnc(NCCN3CCOCC3)c2N)CC1
InChIInChI=1S/C16H28N6O2/c1-23-13-2-5-22(6-3-13)16-14(17)15(19-12-20-16)18-4-7-21-8-10-24-11-9-21/h12-13H,2-11,17H2,1H3,(H,18,19,20)
InChIKeyWOENSBBSUMUZIO-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.42
Rot. Bonds6

About 6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine

6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine (PubChem CID 90488484) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
PubChem CID90488484
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
SMILESCOC1CCN(c2ncnc(NCCN3CCOCC3)c2N)CC1
InChIInChI=1S/C16H28N6O2/c1-23-13-2-5-22(6-3-13)16-14(17)15(19-12-20-16)18-4-7-21-8-10-24-11-9-21/h12-13H,2-11,17H2,1H3,(H,18,19,20)
InChIKeyWOENSBBSUMUZIO-UHFFFAOYSA-N
XLogP0.42
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine (CID 90488484) is 6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine is COC1CCN(c2ncnc(NCCN3CCOCC3)c2N)CC1.
What is the InChIKey of 6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is WOENSBBSUMUZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-23-13-2-5-22(6-3-13)16-14(17)15(19-12-20-16)18-4-7-21-8-10-24-11-9-21/h12-13H,2-11,17H2,1H3,(H,18,19,20).
What are the key properties of 6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 336.44 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxypiperidin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 90488484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).